N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine

C16H27N3O — CID 116778500

IUPACN-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(C2(OCC)CCCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-3-17-13-14-9-12-18-15(19-14)16(20-4-2)10-7-5-6-8-11-16/h9,12,17H,3-8,10-11,13H2,1-2H3
InChIKeyKNBQLBSDWLJEEP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds6

About N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine

N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 116778500) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID116778500
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(C2(OCC)CCCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-3-17-13-14-9-12-18-15(19-14)16(20-4-2)10-7-5-6-8-11-16/h9,12,17H,3-8,10-11,13H2,1-2H3
InChIKeyKNBQLBSDWLJEEP-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116778481
N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778526
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]methanol
CID 116778981
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]hydrazine
CID 116777611
2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
CID 116776076
N-[[2-(1-methoxycycloheptyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778527
N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 116778544
2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
CID 116779124
[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116777542
2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine
CID 116776039

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine (CID 116778500) is N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1ccnc(C2(OCC)CCCCCC2)n1.
What is the InChIKey of N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is KNBQLBSDWLJEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-17-13-14-9-12-18-15(19-14)16(20-4-2)10-7-5-6-8-11-16/h9,12,17H,3-8,10-11,13H2,1-2H3.
What are the key properties of N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine?
N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 116778500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).